CAS Number: 1199-77-5
SMILES : CC(=Cc1ccccc1)C(=O)(O)
CHEM   : #-Methylcinnamic acid
MOL FOR: C10 H10 O2 
MOL WT : 162.19
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.62
    Log Kow (Exper. database match) =  2.60
       Exper. Ref:  SANGSTER (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  298.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000646  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0862  (Modified Grain method)
    MP  (exp database):  79-81 deg C
    VP  (exp database):  9.11E-04 mm Hg (1.21E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.00312 mm Hg (25 deg C, exp database VP )
                       : 0.415 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  999.7
       log Kow used: 2.60 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  450.95 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.03E-008  atm-m3/mole  (2.05E-003 Pa-m3/mole)
   Group Method:   1.28E-008  atm-m3/mole  (1.30E-003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.379E-007 atm-m3/mole  (1.397E-002 Pa-m3/mole)
      VP:   0.000646 mm Hg (source: MPBPVP)
      WS:   1E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.60  (exp database)
  Log Kaw used:  -6.081  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.681
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8711
   Biowin2 (Non-Linear Model)     :   0.9588
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2274  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0042  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4585
   Biowin6 (MITI Non-Linear Model):   0.4077
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6108
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.416 Pa (0.00312 mm Hg)
  Log Koa (Koawin est  ): 8.681
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.21E-006 
       Octanol/air (Koa) model:  0.000118 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00026 
       Mackay model           :  0.000577 
       Octanol/air (Koa) model:  0.00933 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.9042 E-12 cm3/molecule-sec
      Half-Life =     0.325 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.901 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000419 (Junge-Pankow, Mackay avg)
      0.00933 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  88.2  L/kg (MCI method)
      Log Koc:  1.945       (MCI method)
      Koc    :  39.25  L/kg (Kow method)
      Log Koc:  1.594       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1287 days (HL = 0.7436 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.572 (BCF = 37.33)
   Log BAF Arnot-Gobas method (upper trophic) = 1.572 (BAF = 37.33)
       log Kow used: 2.60 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.28E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.825E+004  hours   (2427 days)
    Half-Life from Model Lake : 6.356E+005  hours   (2.648E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.42  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.31  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0991          1.6          1000       
   Water     24.8            360          1000       
   Soil      75              720          1000       
   Sediment  0.134           3.24e+003    0          
     Persistence Time: 530 hr